Geometry & MOs

Info

ID:	2052
PubChem CID:	5673
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	4.62
IP(EA), eV:	-8.14(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate

Drug info:

PubChemData

Smile

CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC

DOS

IR

Vibrations